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Issues with smiles strings not matching species list

Status: Open.

#14 In isayev/ANI1_dataset;

· stedonnelly opened on Jul 9, 2025

FigShare python scripts have bugs

Status: Open.

#13 In isayev/ANI1_dataset;

· jfreeze95 opened on Jun 26, 2024

Classical forcefields dataset for AN1

Status: Open.

#12 In isayev/ANI1_dataset;

· tkreiman opened on Mar 6, 2024

Publish sha256 hashes for improved user safety

Status: Open.

#9 In isayev/ANI1_dataset;

· rsokl opened on Apr 7, 2022

Potential smile/coordinate discrepency

Status: Open.

#8 In isayev/ANI1_dataset;

· max-hoffman opened on Oct 12, 2018

Data license?

Status: Open.

#7 In isayev/ANI1_dataset;

· oon3m0oo opened on Jun 5, 2018

equilibrium geometies

Status: Open.

#6 In isayev/ANI1_dataset;

· wikpron opened on May 28, 2018

parameters used for DFT calculations?

Status: Open.

#5 In isayev/ANI1_dataset;

· timaro opened on Jan 12, 2018

mol2 files describing molecular topology?

Status: Open.

#4 In isayev/ANI1_dataset;

· jchodera opened on Dec 13, 2017